(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O4 — CID 136794190

IUPAC(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-16-8-6-15(7-9-16)22-12-14(10-18(22)24)19(25)21-20-11-13-4-2-3-5-17(13)23/h2-9,11,14,23H,10,12H2,1H3,(H,21,25)/b20-11-/t14-/m0/s1
InChIKeyUDTSIDQZKPZMKH-GNKPEBMXSA-N
MW353.38 g/mol
LogP1.90
Rot. Bonds5

About (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136794190) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID136794190
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-16-8-6-15(7-9-16)22-12-14(10-18(22)24)19(25)21-20-11-13-4-2-3-5-17(13)23/h2-9,11,14,23H,10,12H2,1H3,(H,21,25)/b20-11-/t14-/m0/s1
InChIKeyUDTSIDQZKPZMKH-GNKPEBMXSA-N
XLogP1.90
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2856268
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(E)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 6897475
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2883750
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6897458
(3S)-1-(4-methoxyphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126181938
(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39869218
1-(4-methoxyphenyl)-5-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 4052001
(3R)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40529880
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
(3R)-N-[(E)-(2-chlorophenyl)methylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126169970
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 136794190) is (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1.
What is the InChIKey of (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UDTSIDQZKPZMKH-GNKPEBMXSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-16-8-6-15(7-9-16)22-12-14(10-18(22)24)19(25)21-20-11-13-4-2-3-5-17(13)23/h2-9,11,14,23H,10,12H2,1H3,(H,21,25)/b20-11-/t14-/m0/s1.
What are the key properties of (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136794190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).